[hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide

C2H9N3O2 — CID 163789361

IUPAC[hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide
SMILESC[N-][NH+](O)[NH+](C)[O-]
InChIInChI=1S/C2H9N3O2/c1-3-5(7)4(2)6/h4-5,7H,1-2H3
InChIKeyMVIPINLRKHWSEZ-UHFFFAOYSA-N
MW107.11 g/mol
LogP-2.89
Rot. Bonds2

About [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide

[hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide (PubChem CID 163789361) has the molecular formula C2H9N3O2 and a molecular weight of 107.11 g/mol. Its IUPAC name is [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide.

Molecular Properties

Compound Name[hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide
PubChem CID163789361
Molecular FormulaC2H9N3O2
Molecular Weight107.11 g/mol
Exact Mass107.07
IUPAC Name[hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide
SMILESC[N-][NH+](O)[NH+](C)[O-]
InChIInChI=1S/C2H9N3O2/c1-3-5(7)4(2)6/h4-5,7H,1-2H3
InChIKeyMVIPINLRKHWSEZ-UHFFFAOYSA-N
XLogP-2.89
TPSA66.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-2.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide?
The IUPAC name of [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide (CID 163789361) is [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide.
What is the SMILES notation for [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide?
The canonical SMILES for [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide is C[N-][NH+](O)[NH+](C)[O-].
What is the InChIKey of [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide?
The InChIKey is MVIPINLRKHWSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N3O2/c1-3-5(7)4(2)6/h4-5,7H,1-2H3.
What are the key properties of [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide?
[hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide has a molecular weight of 107.11 g/mol, XLogP of -2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[methyl(oxido)azaniumyl]azaniumyl]-methylazanide is sourced from PubChem (CID 163789361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).